Crystallography Open Database

Information card for entry 1551889

Preview

Coordinates	1551889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 F14 N O Si
Calculated formula	C29 H31 F14 N O Si
SMILES	C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)([C@@H]1CC(CN1)(F)F)O[Si](C)(C)C(C)(C)C(C)C
Title of publication	Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals
Authors of publication	Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre
Journal of publication	Nature Chemistry
Year of publication	2017
Journal volume	9
Pages of publication	868 - 873
a	8.6241 ± 0.0001 Å
b	9.7969 ± 0.0002 Å
c	18.9232 ± 0.0003 Å
α	80.469 ± 0.002°
β	83.314 ± 0.001°
γ	76.243 ± 0.002°
Cell volume	1526.55 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216531 (current)	2019-06-25	cif/ Adding structures of 1551889 via cif-deposit CGI script.	1551889.cif